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methyl 2-[6-acetamido-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

methyl 2-[6-acetamido-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name:methyl 2-[6-acetamido-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate
Openeye Name:methyl 2-[6-acetamido-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate
CAS Name:2-[6-acetamido-2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC Name:methyl 2-[6-acetamido-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate
Traditional Name:2-[6-acetamido-2-[(E)-3-(3-nitrophenyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
Formula: C21H18N4O6S
MolecularWeight: 454.45582
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])S2)CC(=O)OC


Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])S2)CC(=O)OC


InChI

InChI=1S/C21H18N4O6S/c1-13(26)22-15-7-8-17-18(11-15)32-21(24(17)12-20(28)31-2)23-19(27)9-6-14-4-3-5-16(10-14)25(29)30/h3-11H,12H2,1-2H3,(H,22,26)/b9-6+,23-21?


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